Information card for entry 7107540

Structure parameters

• Formula: C16 H15 Au Cl N3
• Calculated formula: C16 H15 Au Cl N3
• SMILES: C1(C(c2ccc(cc2)C)=NN(c2ccccc2)N1C)=[Au]Cl
• Title of publication: N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: "Normal" Carbenes with "Abnormal" Character
• Authors of publication: Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3857
• a: 5.7486 ± 0.0004 Å
• b: 11.6907 ± 0.0008 Å
• c: 12.9093 ± 0.0009 Å
• α: 67.988 ± 0.003°
• β: 87.564 ± 0.003°
• γ: 78.131 ± 0.003°
• Cell volume: 786.56 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No